#   C in diamond structure; Very rough  2x2x2  special point grid; low ecut.
#  Only compute the q points in the irreducible BZ.

ndtset 4

qpt1   0.0 0.0 0.0
qpt2   0.0 0.0 0.0

qpt3   1/2 1/2 0
qpt4   1/2 1/2 0

#Dataset 1 : ground state density
getwfk1     0
getden1     0
nqpt1      0
ieig2rf1   0
rfphon1     0
smdelta1    0

#Odd datasets except 1 : non-self-consistent calculation with an arbitrary q point
ieig2rf3   0      smdelta3    0       rfphon3     0         iscf3      -2

#Even datasets : computation at q=another q point
getgam_eig2nkq4   2      getwfq4    -1


#Common input variables, to be superceded in some cases
nqpt        1
ieig2rf     1
bdeigrf     8
smdelta     1
elph2_imagden  0.1 eV
rfasr       1
getwfk      1          # Use GS wave functions from dataset1
getden      1          # Use density from dataset1
kptopt      3          # Need full k-point set for finite-Q response
rfphon      1          # Do phonon response
rfatpol     1 2        # Treat displacements of all atoms
rfdir       1 1 1      # Do all directions (symmetry will be used)

#Size-dependent parameters
 acell 3*6.70346805
 rprim   0 .5 .5  .5 0 .5  .5 .5 0

 natom  2
 typat  1 1
 xred 3*0.00d0 3*0.25d0

 nband 8

 ngkpt 2 2 2
 nshiftk 1
 shiftk 0.0 0.0 0.0
        0.0 0.5 0.5
        0.5 0.0 0.5
        0.5 0.5 0.0

# Miscellaneous
 ntypat  1
 znucl 6
 diemac 6.0d0
 ecut 20
 ecutsm 0.5
 enunit 2
 nstep 30
 nsym 1
 tolwfr 1.0d-16


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/6c.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = t37.in, t38.in, t39.in, t40.in
#%% [files]
#%% files_to_test = 
#%%   t37.out, tolnlines = 4, tolabs = 1.1e-3, tolrel = 2.0e-4, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = NC, DFPT
#%% description = 
#%%   Diamond.
#%%   Test temperature-dependent of the electronic structure, with
#%%   reduction of the number of q points to be computed, thanks to thmflag=7 .
#%%   Warning : only valid for Gamma, AND the temperature-dependent shifts must be averaged
#%%   over degenerate states.
#%% topics = TDepES
#%%<END TEST_INFO>